Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 2/20 | 0.60 |
| ▸ | FOLR1 | P15328 | 1/20 | 0.60 |
| ▸ | SLC19A1 | P41440 | 1/20 | 0.60 |
| ▸ | SLC46A1 | Q96NT5 | 1/20 | 0.60 |
| ▸ | ATIC | P31939 | 2/20 | 0.48 |
| ▸ | GART | P22102 | 3/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8997253 | 0.90 | DHFR (0.58) | DHFRATICGART | |
| SCHEMBL9397716 | 0.89 | DHFR (0.53) | DHFRATICGART | |
| SCHEMBL8997198 | 0.88 | ATIC (0.48) | DHFRATICGART | |
| SCHEMBL8997170 | 0.86 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL9758306 | 0.86 | DHFR (0.55) | DHFRATICGART | |
| SCHEMBL8997146 | 0.84 | ATIC (0.50) | DHFRATICGART | |
| SCHEMBL8997214 | 0.84 | ATIC (0.49) | ATICGART | |
| SCHEMBL9227822 | 0.83 | DHFR (0.52) | DHFRATICGART | |
| SCHEMBL8997257 | 0.82 | GART (0.61) | DHFRATICGART | |
| SCHEMBL9041817 | 0.82 | MTHFD1 (0.59) | DHFRATICGART |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4997838-A | Antitumor agents | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1991-03-05 | — | — | US | disclosed |